| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:20 UTC |
|---|
| Update Date | 2025-03-25 00:56:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218280 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16OS |
|---|
| Molecular Mass | 208.0922 |
|---|
| SMILES | Cc1sc2c(c1C)C(=O)CCC2(C)C |
|---|
| InChI Key | ZLFSWVGMSWDHTD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl alkyl ketones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | heteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsthiophenes |
|---|
| Substituents | organic oxidearyl alkyl ketonearomatic heteropolycyclic compoundheteroaromatic compoundhydrocarbon derivativethiopheneorganoheterocyclic compound |
|---|
